2,4-bis(4-fluoranthen-3-ylphenyl)-6-phenyl-1,3,5-triazine

C53H31N3 — CID 59779624

IUPAC2,4-bis(4-fluoranthen-3-ylphenyl)-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc5c6c(cccc46)-c4ccccc4-5)cc3)nc(-c3ccc(-c4ccc5c6c(cccc46)-c4ccccc4-5)cc3)n2)cc1
InChIInChI=1S/C53H31N3/c1-2-10-34(11-3-1)51-54-52(35-24-20-32(21-25-35)37-28-30-47-41-14-6-4-12-39(41)45-18-8-16-43(37)49(45)47)56-53(55-51)36-26-22-33(23-27-36)38-29-31-48-42-15-7-5-13-40(42)46-19-9-17-44(38)50(46)48/h1-31H
InChIKeyCLCSKTHKSBTZOB-UHFFFAOYSA-N
MW709.85 g/mol
LogP13.81
Rot. Bonds5

About 2,4-bis(4-fluoranthen-3-ylphenyl)-6-phenyl-1,3,5-triazine

2,4-bis(4-fluoranthen-3-ylphenyl)-6-phenyl-1,3,5-triazine (PubChem CID 59779624) has the molecular formula C53H31N3 and a molecular weight of 709.85 g/mol. Its IUPAC name is 2,4-bis(4-fluoranthen-3-ylphenyl)-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2,4-bis(4-fluoranthen-3-ylphenyl)-6-phenyl-1,3,5-triazine
PubChem CID59779624
Molecular FormulaC53H31N3
Molecular Weight709.85 g/mol
Exact Mass709.25
IUPAC Name2,4-bis(4-fluoranthen-3-ylphenyl)-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc5c6c(cccc46)-c4ccccc4-5)cc3)nc(-c3ccc(-c4ccc5c6c(cccc46)-c4ccccc4-5)cc3)n2)cc1
InChIInChI=1S/C53H31N3/c1-2-10-34(11-3-1)51-54-52(35-24-20-32(21-25-35)37-28-30-47-41-14-6-4-12-39(41)45-18-8-16-43(37)49(45)47)56-53(55-51)36-26-22-33(23-27-36)38-29-31-48-42-15-7-5-13-40(42)46-19-9-17-44(38)50(46)48/h1-31H
InChIKeyCLCSKTHKSBTZOB-UHFFFAOYSA-N
XLogP13.81
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500709.85
LogP ≤ 513.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[4-(2-fluoranthen-3-ylphenyl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 170003614
4,6-bis(4-fluoranthen-3-ylphenyl)-2-phenylpyrimidine
CID 59779601
4-[4-(4-fluoranthen-3-ylphenyl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 170003344
2-[4-(4-fluoranthen-3-ylnaphthalen-1-yl)naphthalen-1-yl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 156547373
8-[4-[4-(4-fluoranthen-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]quinoline
CID 130263319
2-[3-(4-fluoranthen-3-ylphenyl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 168756537
4-[2-(4-fluoranthen-3-ylphenyl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 170003546
4-[4-(4-fluoranthen-3-ylphenyl)phenyl]-2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine
CID 130265097
4-[4-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]fluoranthen-3-yl]naphthalene-1-carbonitrile
CID 165376112
2-[3-(23-oxahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14(22),15,17,19-undecaen-17-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155429636
2,4-diphenyl-6-[4-(12-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-6-yl)phenyl]-1,3,5-triazine
CID 170182898
4-[4-[4-(4-fluoranthen-3-ylphenyl)naphthalen-2-yl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 168756534

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(4-fluoranthen-3-ylphenyl)-6-phenyl-1,3,5-triazine?
The IUPAC name of 2,4-bis(4-fluoranthen-3-ylphenyl)-6-phenyl-1,3,5-triazine (CID 59779624) is 2,4-bis(4-fluoranthen-3-ylphenyl)-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2,4-bis(4-fluoranthen-3-ylphenyl)-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2,4-bis(4-fluoranthen-3-ylphenyl)-6-phenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccc(-c4ccc5c6c(cccc46)-c4ccccc4-5)cc3)nc(-c3ccc(-c4ccc5c6c(cccc46)-c4ccccc4-5)cc3)n2)cc1.
What is the InChIKey of 2,4-bis(4-fluoranthen-3-ylphenyl)-6-phenyl-1,3,5-triazine?
The InChIKey is CLCSKTHKSBTZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H31N3/c1-2-10-34(11-3-1)51-54-52(35-24-20-32(21-25-35)37-28-30-47-41-14-6-4-12-39(41)45-18-8-16-43(37)49(45)47)56-53(55-51)36-26-22-33(23-27-36)38-29-31-48-42-15-7-5-13-40(42)46-19-9-17-44(38)50(46)48/h1-31H.
What are the key properties of 2,4-bis(4-fluoranthen-3-ylphenyl)-6-phenyl-1,3,5-triazine?
2,4-bis(4-fluoranthen-3-ylphenyl)-6-phenyl-1,3,5-triazine has a molecular weight of 709.85 g/mol, XLogP of 13.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(4-fluoranthen-3-ylphenyl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 59779624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).